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Hydrogen and Deuterium Molecular Escape from Clathrate Hydrates: “Leaky” Microsecond-Molecular-Dynamics Predictions

[Image: see text] It is predicted herewith that the leakage of both hydrogen (H(2)) and deuterium (D(2)) from sII clathrate hydrates, borne of guest chemical-potential equalization driving enhanced nonequilibrium intercage hopping, should be observable experimentally. To this end, we have designed s...

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Detalles Bibliográficos
Autores principales: Krishnan, Yogeshwaran, Ghaani, Mohammad Reza, English, Niall J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279647/
https://www.ncbi.nlm.nih.gov/pubmed/34276853
http://dx.doi.org/10.1021/acs.jpcc.1c00987